4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
TL;DR: 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide (CAS 61339-50-2) is a chemical compound with molecular formula C13H15ClN2OS and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Also Known As: BAS 00561082, UPCMLD0ENAT0507-4422:001, 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide, Butanamide, 4-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-, 4-chloro-N-(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))butanamide
| Molecular Formula | C13H15ClN2OS |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 3.45608 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.05936 |
| Heavy Atoms | 18 |
| Complexity | 489.91608 |
Chemical Identifiers
| CAS Number | 61339-50-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CCCCl)C#N |
Product Overview
4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide (CAS 61339-50-2), with molecular formula C13H15ClN2OS and molecular weight 282.06 g/mol. IUPAC: 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide.
Chemical Property Profile of 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Property Insights of 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
The XLogP value of 3.45608 indicates that 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide?
The CAS number of 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide is 61339-50-2.
What is the molecular formula of 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide?
The molecular formula of 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide is C13H15ClN2OS.
What is the molecular weight of 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide?
The molecular weight of 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide is 282.06 g/mol.
Where can I buy 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide?
You can request a quote for 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.